4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine

C11H25NO2S — CID 64704821

IUPAC4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)CCOC
InChIInChI=1S/C11H25NO2S/c1-5-6-12-10(2)9-11(3)15(13)8-7-14-4/h10-12H,5-9H2,1-4H3
InChIKeyRCSWZUTWDQMZLU-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.55
Rot. Bonds9

About 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine

4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine (PubChem CID 64704821) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
PubChem CID64704821
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)CCOC
InChIInChI=1S/C11H25NO2S/c1-5-6-12-10(2)9-11(3)15(13)8-7-14-4/h10-12H,5-9H2,1-4H3
InChIKeyRCSWZUTWDQMZLU-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-methoxyethylsulfinyl)pentan-2-amine
CID 64704822
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
CID 64659989
4-butan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64704206
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
CID 107760649
N-ethyl-4-ethylsulfinylpentan-2-amine
CID 64704614
3-(2-methoxyethylsulfinyl)butanoic acid
CID 61301794
4-butylsulfinyl-N-methylpentan-2-amine
CID 64703029
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine
CID 64705404

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine (CID 64704821) is 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)S(=O)CCOC.
What is the InChIKey of 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine?
The InChIKey is RCSWZUTWDQMZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-6-12-10(2)9-11(3)15(13)8-7-14-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine?
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64704821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).